3-(2-fluoroethylamino)-3-methylbutanamide

C7H15FN2O — CID 104580433

IUPAC3-(2-fluoroethylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCCF
InChIInChI=1S/C7H15FN2O/c1-7(2,5-6(9)11)10-4-3-8/h10H,3-5H2,1-2H3,(H2,9,11)
InChIKeySADBRNOJONBEOU-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.20
Rot. Bonds5

About 3-(2-fluoroethylamino)-3-methylbutanamide

3-(2-fluoroethylamino)-3-methylbutanamide (PubChem CID 104580433) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(2-fluoroethylamino)-3-methylbutanamide
PubChem CID104580433
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name3-(2-fluoroethylamino)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCCF
InChIInChI=1S/C7H15FN2O/c1-7(2,5-6(9)11)10-4-3-8/h10H,3-5H2,1-2H3,(H2,9,11)
InChIKeySADBRNOJONBEOU-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)-3-methylbutanamide?
The IUPAC name of 3-(2-fluoroethylamino)-3-methylbutanamide (CID 104580433) is 3-(2-fluoroethylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(2-fluoroethylamino)-3-methylbutanamide?
The canonical SMILES for 3-(2-fluoroethylamino)-3-methylbutanamide is CC(C)(CC(N)=O)NCCF.
What is the InChIKey of 3-(2-fluoroethylamino)-3-methylbutanamide?
The InChIKey is SADBRNOJONBEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-7(2,5-6(9)11)10-4-3-8/h10H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 3-(2-fluoroethylamino)-3-methylbutanamide?
3-(2-fluoroethylamino)-3-methylbutanamide has a molecular weight of 162.21 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)-3-methylbutanamide is sourced from PubChem (CID 104580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).